SCHEMBL95908

SCHEMBL95908

[CH2]c1ccc(OC(C)(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ KIF11 P52732 1/20 0.37
▸ ACACB O00763 2/20 0.34
▸ RIPK1 Q13546 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ PPARA Q07869 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ PPARG P37231 1/20 0.31
▸ CA12 O43570 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA7 P43166 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26746 0.86 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3KIF11ACACB
SCHEMBL3842131 0.78 PPARA (0.40) SLC6A2SLC6A4SLC6A3KIF11ACACB
SCHEMBL198046 0.78 RIPK1 (0.43) SLC6A2SLC6A4SLC6A3KIF11ACACB
SCHEMBL19339945 0.78 MAPT (0.44) SLC6A2SLC6A4SLC6A3KIF11ACACB
SCHEMBL18866585 0.78 MAPT (0.44) SLC6A2SLC6A4SLC6A3KIF11ACACB
SCHEMBL317934 0.76 ACHE (0.50) SLC6A2SLC6A4SLC6A3KIF11ACACB
SCHEMBL5285766 0.76 CA1 (0.61) MEN1KMT2AKDM4ECYP3A4MAPT
SCHEMBL11378368 0.75 NQO1 (0.40) SLC6A2SLC6A4SLC6A3KIF11ACACB
SCHEMBL5392701 0.75 SCN10A (0.32) PPARAPPARG
SCHEMBL1006518 0.74 ALDH1A1 (0.42) SLC6A2SLC6A4SLC6A3KIF11ACACB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 446 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114276411-B Solid phase synthesis method of cyclic peptide compound containing trithioether bond 北京大学深圳研究生院 2024-02-09 — — CN claimed
CN-114685608-A Cyclic peptide compound containing trithioether bond or derivative thereof, and synthetic method and application thereof 北京大学深圳研究生院 2022-07-01 — — CN claimed
CN-114276411-A Solid phase synthesis method of cyclic peptide compound containing trithioether bond 北京大学深圳研究生院 2022-04-05 — — CN claimed
US-20210122713-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARMACEUTICALS INC. (US) 2021-04-29 — — US claimed
EP-3672960-A2 COMPOUNDS, SALTS THEREOF AND THEIR USE FOR THE TREATMENT OF DISEASES Acadia Pharmaceuticals Inc. (US) 2020-07-01 — — EP claimed
WO-2019040104-A2 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARMACEUTICALS INC. (US) 2019-02-28 — — WO claimed
EP-1662877-B1 6-HALOGENO-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINES FOR COMBATING ANIMAL PESTS MERIAL LTD (US) 2014-12-17 — — EP claimed
US-8669253-B2 Methods for treating glaucoma and macular degeneration DUKE UNIVERSITY (US) 2014-03-11 — — US claimed
CN-101495464-B Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA NV 2014-03-05 — — CN claimed
CN-103396398-A Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA NV 2013-11-20 — — CN claimed
EP-0309913-B1 Fungicidal N-substituted 3-aryl-pyrrolidine derivatives BASF AG (DE) 1994-06-15 — — EP claimed
WO-1994000461-A1 INHIBITORS OF RETROVIRAL PROTEASES HOECHST AKTIENGESELLSCHAFT (DE) 1994-01-06 — — WO claimed
US-5068245-A For treatment of plants BASF AKTIENGESELLSCHAFT (DE) 1991-11-26 — — US claimed
US-5051409-A Fungicides BASF AKTIENGESELLSCHAFT (DE) 1991-09-24 — — US claimed
EP-0435059-A1 Retroviral protease inhibitors HOECHST AKTIENGESELLSCHAFT (DE) 1991-07-03 — — EP claimed
EP-0428849-A2 Retroviral protease inhibitors HOECHST AKTIENGESELLSCHAFT (DE) 1991-05-29 — — EP claimed
CN-1050545-A Inhibitors of post-infective viral proteases HOECHST AG (DE) 1991-04-10 — — CN claimed
EP-0369335-A2 2-Aminodecaline derivatives and their use BASF Aktiengesellschaft (DE) 1990-05-23 — — EP claimed
EP-0309913-A2 Fungicidal N-substituted 3-aryl-pyrrolidine derivatives BASF Aktiengesellschaft (DE) 1989-04-05 — — EP claimed
US-4181733-A ANTIBIOTICS MERCK & CO., INC. (US) 1980-01-01 — — US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210122713-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES SLC10A1, VHL, CYP11B2 SLC6A2 290/4885SLC6A4 853/4885SLC6A3 427/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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